SCHEMBL1029323

SCHEMBL1029323

Cc1cn(C)c(C(=O)NCc2cccc(OC(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.57
PPARG P37231 2/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 1/20 0.52
GLS O94925 8/20 0.52
CACNA1G O43497 1/20 0.49
CACNA1H O95180 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
NAMPT P43490 1/20 0.48
CHRM3 P20309 1/20 0.47
WDR5 P61964 1/20 0.47
ABCB1 P08183 1/20 0.46
MMP13 P45452 1/20 0.46
AKR1C3 P42330 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1030010 0.84 MAPK14 (0.50) MAPK14PPARGPPARDPPARAROCK2
SCHEMBL1032170 0.80 RIPK1 (0.47) MMP13
SCHEMBL1031509 0.79 WDR5 (0.51) MAPK14PPARGPPARDPPARAROCK2
SCHEMBL1048091 0.77 ALDH1A1 (0.53) ROCK2ROCK1MMP13
SCHEMBL1032781 0.76 MMP13 (0.54) MAPK14ROCK2ROCK1MMP13
SCHEMBL1030468 0.74 P2RX7 (0.48) PPARG
SCHEMBL16945283 0.73 MAPK14 (0.53) MAPK14PPARGPPARDPPARAROCK2
SCHEMBL1032230 0.73 ADORA3 (0.55) MMP13
SCHEMBL31060144 0.73 MAPK14 (1.00) MAPK14PPARGPPARDPPARAROCK2
SCHEMBL5724446 0.73 MAPK14 (0.63) MAPK14PPARGPPARDPPARAROCK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 MAPK14 2762/4885PPARG 2867/4885PPARD 2350/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.